KEGG   COMPOUND: C00109
Entry
C00109                      Compound                               
Name
2-Oxobutanoate;
2-Ketobutyric acid;
2-Oxobutyric acid;
2-Oxobutyrate;
2-Oxobutanoic acid;
alpha-Ketobutyric acid;
alpha-Ketobutyrate
Formula
C4H6O3
Exact mass
102.0317
Mol weight
102.09
Structure
Reaction
R00654 R00993 R00994 R00995 R00996 R00997 R00998 R00999
R01000 R01001 R01199 R01283 R04673 R04770 R04930 R05840
R06987 R08637 R08648 R10991 R10992 R10996 R11098
Pathway
map00260  Glycine, serine and threonine metabolism
map00270  Cysteine and methionine metabolism
map00290  Valine, leucine and isoleucine biosynthesis
map00640  Propanoate metabolism
map00660  C5-Branched dibasic acid metabolism
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01210  2-Oxocarboxylic acid metabolism
map01230  Biosynthesis of amino acids
Module
M00019  Valine/isoleucine biosynthesis, pyruvate => valine / 2-oxobutanoate => isoleucine
M00535  Isoleucine biosynthesis, pyruvate => 2-oxobutanoate
M00570  Isoleucine biosynthesis, threonine => 2-oxobutanoate => isoleucine
Enzyme
1.1.1.27        1.1.1.85        1.2.3.-         1.2.4.4         
1.2.7.1         2.2.1.6         2.3.1.54        2.3.3.6         
2.5.1.48        2.6.1.42        2.6.1.44        3.5.99.7        
3.5.99.10       4.1.1.112       4.3.1.19        4.4.1.1         
4.4.1.2         4.4.1.11
Brite
Compounds with biological roles [BR:br08001]
 Organic acids
  Carboxylic acids
   2-Oxocarboxylic acids
    C00109  2-Oxobutanoate
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0106 Oxo fatty acids
    C00109  2-Oxobutanoic acid
Other DBs
CAS: 600-18-0
PubChem: 3409
ChEBI: 16763 30831
LIPIDMAPS: LMFA01060002
KNApSAcK: C00019675
PDB-CCD: 2KT[PDBj]
NIKKAJI: J2.726J
LinkDB
KCF data

ATOM        7
            1   C5a C    22.1561  -16.5428
            2   C6a C    23.3734  -15.8406
            3   C1b C    20.9451  -15.8406
            4   O5a O    22.2196  -18.0740
            5   O6a O    24.5844  -16.5428
            6   O6a O    23.3671  -14.5065
            7   C1a C    19.7342  -16.5428
BOND        6
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1

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